[5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol

C12H10Cl2N2O — CID 69074362

IUPAC[5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol
SMILESOCc1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-1-3-10(4-2-9)16-12-11(14)5-8(7-17)6-15-12/h1-6,17H,7H2,(H,15,16)
InChIKeyBMDBPEIALUJFBW-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.62
Rot. Bonds3

About [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol

[5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol (PubChem CID 69074362) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol
PubChem CID69074362
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name[5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol
SMILESOCc1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-1-3-10(4-2-9)16-12-11(14)5-8(7-17)6-15-12/h1-6,17H,7H2,(H,15,16)
InChIKeyBMDBPEIALUJFBW-UHFFFAOYSA-N
XLogP3.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile
CID 69074354
[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol
CID 102915156
3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine
CID 24784987
(5-chloro-6-iodo-3-pyridinyl)methanol
CID 58001734
5-(bromomethyl)-2,3-dichloropyridine;(5,6-dichloro-3-pyridinyl)methanol
CID 158882094
[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol
CID 118997102
N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
CID 113398009
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
3,5-dichloro-N-(4-chlorophenyl)-6-hydrazinylpyridin-2-amine
CID 102762339
3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 65029357
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol (CID 69074362) is [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol is OCc1cnc(Nc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol?
The InChIKey is BMDBPEIALUJFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-1-3-10(4-2-9)16-12-11(14)5-8(7-17)6-15-12/h1-6,17H,7H2,(H,15,16).
What are the key properties of [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol?
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol has a molecular weight of 269.13 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol is sourced from PubChem (CID 69074362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).