4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine

C14H14Cl2F2N2 — CID 172634701

IUPAC4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine
SMILESFC1(F)CCC(Cn2ccc3c(Cl)nc(Cl)cc32)CC1
InChIInChI=1S/C14H14Cl2F2N2/c15-12-7-11-10(13(16)19-12)3-6-20(11)8-9-1-4-14(17,18)5-2-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyBTZPCJPAAGDSHG-UHFFFAOYSA-N
MW319.18 g/mol
LogP5.17
Rot. Bonds2

About 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine

4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine (PubChem CID 172634701) has the molecular formula C14H14Cl2F2N2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine
PubChem CID172634701
Molecular FormulaC14H14Cl2F2N2
Molecular Weight319.18 g/mol
Exact Mass318.05
IUPAC Name4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine
SMILESFC1(F)CCC(Cn2ccc3c(Cl)nc(Cl)cc32)CC1
InChIInChI=1S/C14H14Cl2F2N2/c15-12-7-11-10(13(16)19-12)3-6-20(11)8-9-1-4-14(17,18)5-2-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyBTZPCJPAAGDSHG-UHFFFAOYSA-N
XLogP5.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.18
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(4,4-difluorocyclohexyl)methyl]indol-5-amine
CID 156881348
4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine
CID 172634697
1-[(4,4-difluorocyclohexyl)methyl]-6-(1,5-dimethylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118059661
4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine
CID 172634702
2,4-dichloro-7-(cyclohexylmethyl)pyrrolo[2,3-d]pyrimidine
CID 118636092
5-[1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-N-methylpyridine-2-carboxamide
CID 118059761
(2Z)-4,5-diamino-3-[1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]penta-2,4-dien-2-ol
CID 144710189
4-[1-[(4,4-difluorocyclohexyl)methyl]-3-[4-(1-ethenylcyclopropyl)phenyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
CID 144710244
6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine
CID 139300624
4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 103428444
7-chloro-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-[(4,4-difluorocyclohexyl)methyl]isoindol-1-ol
CID 90927434
2-[5-bromo-1-[(4,4-difluorocyclohexyl)methyl]indol-3-yl]-N-piperidin-4-ylacetamide;hydrochloride
CID 161424713

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine?
The IUPAC name of 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine (CID 172634701) is 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine is FC1(F)CCC(Cn2ccc3c(Cl)nc(Cl)cc32)CC1.
What is the InChIKey of 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine?
The InChIKey is BTZPCJPAAGDSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2F2N2/c15-12-7-11-10(13(16)19-12)3-6-20(11)8-9-1-4-14(17,18)5-2-9/h3,6-7,9H,1-2,4-5,8H2.
What are the key properties of 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine?
4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine has a molecular weight of 319.18 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 172634701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).