(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone

C18H14ClFN2O2 — CID 164867722

IUPAC(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone
SMILESCn1c(C2CC2)c(C(=O)c2cc(F)c(O)c(Cl)c2)c2ccncc21
InChIInChI=1S/C18H14ClFN2O2/c1-22-14-8-21-5-4-11(14)15(16(22)9-2-3-9)17(23)10-6-12(19)18(24)13(20)7-10/h4-9,24H,2-3H2,1H3
InChIKeyMQJNPGJNCKMEQV-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.18
Rot. Bonds3

About (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone

(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone (PubChem CID 164867722) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone
PubChem CID164867722
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone
SMILESCn1c(C2CC2)c(C(=O)c2cc(F)c(O)c(Cl)c2)c2ccncc21
InChIInChI=1S/C18H14ClFN2O2/c1-22-14-8-21-5-4-11(14)15(16(22)9-2-3-9)17(23)10-6-12(19)18(24)13(20)7-10/h4-9,24H,2-3H2,1H3
InChIKeyMQJNPGJNCKMEQV-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone with MolForge

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Related Compounds

1-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-[[4-(pyrrolidin-1-ylmethyl)cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone
CID 136266647
{6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl}(cyclopropyl)methanone
CID 66715343
[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]quinolin-3-yl]-cyclopropylmethanone
CID 66716457
[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-[[5-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 68298643
[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-(4-methylpiperazin-1-yl)quinolin-3-yl]-cyclopropylmethanone
CID 68298678
[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 68298710
1-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-1,5-naphthyridin-3-yl]ethanone
CID 136266718
1-[6-(3,5-Dichloro-4-hydroxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-1,5-naphthyridin-3-yl]ethanone
CID 136266720
1-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-[3-(2-pyrrolidin-1-ylethyl)anilino]-1,5-naphthyridin-3-yl]ethanone
CID 136927258
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[2,3-c]pyridin-1-ylmethanone
CID 166063512
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone
CID 166063514
3-(3,5-Dichloro-4-pyridinyl)-1-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]propane-1,2-dione
CID 20583501

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone?
The IUPAC name of (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone (CID 164867722) is (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone.
What is the SMILES notation for (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone?
The canonical SMILES for (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone is Cn1c(C2CC2)c(C(=O)c2cc(F)c(O)c(Cl)c2)c2ccncc21.
What is the InChIKey of (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone?
The InChIKey is MQJNPGJNCKMEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-22-14-8-21-5-4-11(14)15(16(22)9-2-3-9)17(23)10-6-12(19)18(24)13(20)7-10/h4-9,24H,2-3H2,1H3.
What are the key properties of (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone?
(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone has a molecular weight of 344.77 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-cyclopropyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone is sourced from PubChem (CID 164867722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).