N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine

C13H10ClN3 — CID 58087153

IUPACN-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESClc1ccc(Nc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C13H10ClN3/c14-9-3-5-10(6-4-9)17-12-8-16-13-11(12)2-1-7-15-13/h1-8,17H,(H,15,16)
InChIKeyKKUFAKPOIZWDBS-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.96
Rot. Bonds2

About N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine

N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 58087153) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID58087153
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC NameN-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESClc1ccc(Nc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C13H10ClN3/c14-9-3-5-10(6-4-9)17-12-8-16-13-11(12)2-1-7-15-13/h1-8,17H,(H,15,16)
InChIKeyKKUFAKPOIZWDBS-UHFFFAOYSA-N
XLogP3.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 170418991
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide
CID 174976610
2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415020
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
N-(4-chlorophenyl)-8-fluoroquinolin-4-amine
CID 43833203
4-(4-chloroanilino)quinolin-8-ol
CID 152720293
(E)-N-(4-chlorophenyl)-2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 6859436
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
N-(4-chlorophenyl)pyridin-2-amine
CID 139075249
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 58087153) is N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is Clc1ccc(Nc2c[nH]c3ncccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is KKUFAKPOIZWDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-9-3-5-10(6-4-9)17-12-8-16-13-11(12)2-1-7-15-13/h1-8,17H,(H,15,16).
What are the key properties of N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 243.70 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 58087153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).