6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine

C9H12ClN3 — CID 169473240

IUPAC6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine
SMILESCNCC=Cc1cc(N)cnc1Cl
InChIInChI=1S/C9H12ClN3/c1-12-4-2-3-7-5-8(11)6-13-9(7)10/h2-3,5-6,12H,4,11H2,1H3
InChIKeyIWGGMRRCYLCTRV-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.55
Rot. Bonds3

About 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine

6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine (PubChem CID 169473240) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine
PubChem CID169473240
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine
SMILESCNCC=Cc1cc(N)cnc1Cl
InChIInChI=1S/C9H12ClN3/c1-12-4-2-3-7-5-8(11)6-13-9(7)10/h2-3,5-6,12H,4,11H2,1H3
InChIKeyIWGGMRRCYLCTRV-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-2-chloro-3-pyridinyl)but-3-enenitrile
CID 170799310
2-chloro-5-[3-(methylamino)prop-1-enyl]pyrimidin-4-amine
CID 169473384
2-chloro-6-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473234
6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine
CID 170495405
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
3-(2-chloro-4-methoxypyrimidin-5-yl)-N-methylprop-2-en-1-amine
CID 169473569
3-(6-chloro-4-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474164
5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine
CID 169463243
3-(6-chloro-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169473911
3-(5-chloro-3-methyl-2-pyridinyl)-N-methylprop-2-en-1-amine
CID 169473297
6-methyl-5-[3-(methylamino)prop-1-enyl]pyridine-2,3-diamine
CID 169473705
(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114867476

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine?
The IUPAC name of 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine (CID 169473240) is 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine is CNCC=Cc1cc(N)cnc1Cl.
What is the InChIKey of 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine?
The InChIKey is IWGGMRRCYLCTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-12-4-2-3-7-5-8(11)6-13-9(7)10/h2-3,5-6,12H,4,11H2,1H3.
What are the key properties of 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine?
6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine has a molecular weight of 197.67 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine is sourced from PubChem (CID 169473240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).