6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid

C19H16ClNO3 — CID 71767830

IUPAC6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc12
InChIInChI=1S/C19H16ClNO3/c20-16-8-17-14(15(9-21-17)18(23)24)7-13(16)11-1-3-12(4-2-11)19(10-22)5-6-19/h1-4,7-9,21-22H,5-6,10H2,(H,23,24)
InChIKeyHPSVQYWQVLFPRF-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.21
Rot. Bonds4

About 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid

6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid (PubChem CID 71767830) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
PubChem CID71767830
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc12
InChIInChI=1S/C19H16ClNO3/c20-16-8-17-14(15(9-21-17)18(23)24)7-13(16)11-1-3-12(4-2-11)19(10-22)5-6-19/h1-4,7-9,21-22H,5-6,10H2,(H,23,24)
InChIKeyHPSVQYWQVLFPRF-UHFFFAOYSA-N
XLogP4.21
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

PF-06409577
CID 71748255
6-Chloro-5-[4-(2-methoxyethoxy)phenyl]-1h-indole-3-carboxylic acid
CID 71765798
6-Chloro-5-(4-methoxy-phenyl)-1H-indole-3-carboxylic acid
CID 71765801
6-chloro-5-(2'-hydroxybiphenyl-4-yl)-1H-indole-3-carboxylic acid
CID 71765955
6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 71766100
6-Fluoro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid
CID 71767831
4,6-Difluoro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid
CID 71767833
6-Chloro-5-[4-(hydroxymethyl)phenyl]-1H-indole-3-carboxylic acid
CID 86698571
6-chloro-5-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenyl}-1H-indole-3-carboxylic acid
CID 86698746
6-chloro-5-[4-(oxan-2-yl)phenyl]-1H-indole-3-carboxylic acid
CID 89837093
6-chloro-5-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxylic acid
CID 137660838
6-chloro-1H-indole-3-carboxylic acid
CID 18453235

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid (CID 71767830) is 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc12.
What is the InChIKey of 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid?
The InChIKey is HPSVQYWQVLFPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-16-8-17-14(15(9-21-17)18(23)24)7-13(16)11-1-3-12(4-2-11)19(10-22)5-6-19/h1-4,7-9,21-22H,5-6,10H2,(H,23,24).
What are the key properties of 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid?
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid has a molecular weight of 341.79 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71767830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).