(2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine

C8H7Cl2N3 — CID 130804087

IUPAC(2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine
SMILESNCc1ccc2c(Cl)c(Cl)[nH]c2n1
InChIInChI=1S/C8H7Cl2N3/c9-6-5-2-1-4(3-11)12-8(5)13-7(6)10/h1-2H,3,11H2,(H,12,13)
InChIKeyUUECUUVDBUCDPI-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.33
Rot. Bonds1

About (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine

(2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine (PubChem CID 130804087) has the molecular formula C8H7Cl2N3 and a molecular weight of 216.07 g/mol. Its IUPAC name is (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine
PubChem CID130804087
Molecular FormulaC8H7Cl2N3
Molecular Weight216.07 g/mol
Exact Mass215.00
IUPAC Name(2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine
SMILESNCc1ccc2c(Cl)c(Cl)[nH]c2n1
InChIInChI=1S/C8H7Cl2N3/c9-6-5-2-1-4(3-11)12-8(5)13-7(6)10/h1-2H,3,11H2,(H,12,13)
InChIKeyUUECUUVDBUCDPI-UHFFFAOYSA-N
XLogP2.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(8-chloro-5-fluoroquinolin-2-yl)methanamine
CID 107532023
(8-fluoro-5-methylquinolin-2-yl)methanamine
CID 102941388
ethyl 6-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 164958293
6-(aminomethyl)pyridine-2,3-diamine
CID 82502425
(5,8-dimethoxyquinolin-2-yl)methanamine
CID 82241956
(8-fluoro-5-methoxyquinolin-2-yl)methanamine
CID 102941402
(2-chloro-5-fluoroquinolin-7-yl)methanamine
CID 171502076
(5,6-dimethyl-2-pyridinyl)methanamine
CID 45079545
(5,6-dimethyl-2-pyridinyl)methanamine;dihydrochloride
CID 162394399
2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine
CID 82247413
(8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine
CID 115038584
7-ethyl-1H-1,8-naphthyridin-2-one
CID 23335413

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine?
The IUPAC name of (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine (CID 130804087) is (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine.
What is the SMILES notation for (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine?
The canonical SMILES for (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine is NCc1ccc2c(Cl)c(Cl)[nH]c2n1.
What is the InChIKey of (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine?
The InChIKey is UUECUUVDBUCDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3/c9-6-5-2-1-4(3-11)12-8(5)13-7(6)10/h1-2H,3,11H2,(H,12,13).
What are the key properties of (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine?
(2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine has a molecular weight of 216.07 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-1H-pyrrolo[2,3-b]pyridin-6-yl)methanamine is sourced from PubChem (CID 130804087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).