(Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine

C9H13FN2 — CID 130303296

IUPAC(Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine
SMILESC/C(F)=C/C(N)N1C=CC=CC1
InChIInChI=1S/C9H13FN2/c1-8(10)7-9(11)12-5-3-2-4-6-12/h2-5,7,9H,6,11H2,1H3/b8-7-
InChIKeyVHUGNTNPTBNXMU-FPLPWBNLSA-N
MW168.21 g/mol
LogP1.53
Rot. Bonds2

About (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine

(Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine (PubChem CID 130303296) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine
PubChem CID130303296
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name(Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine
SMILESC/C(F)=C/C(N)N1C=CC=CC1
InChIInChI=1S/C9H13FN2/c1-8(10)7-9(11)12-5-3-2-4-6-12/h2-5,7,9H,6,11H2,1H3/b8-7-
InChIKeyVHUGNTNPTBNXMU-FPLPWBNLSA-N
XLogP1.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-allyl-2-aminopyridine
CID 67696353
4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine
CID 126635010
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridin-2-amine
CID 132060300
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridin-6-amine
CID 132060301
1-(1,1,1-trifluorobutan-2-yl)-2H-pyridin-2-amine
CID 132060323
1-(4,4,4-trifluorobutan-2-yl)-2H-pyridin-2-amine
CID 132060325
3-fluoro-1-prop-1-enyl-2H-pyridin-2-amine
CID 141446633
6-fluoro-1-methyl-2H-pyridin-2-amine
CID 144183773
5-fluoro-1-methyl-2H-pyridin-2-amine
CID 145309583
2-bromo-4-N-(2-fluoroethyl)-4-N-methyl-1H-pyridine-2,4-diamine
CID 152413028
7-Fluoro-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 156164343
6-fluoro-N-propan-2-yl-1,2-dihydropyridin-2-amine
CID 168081085

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine (CID 130303296) is (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine is C/C(F)=C/C(N)N1C=CC=CC1.
What is the InChIKey of (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine?
The InChIKey is VHUGNTNPTBNXMU-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H13FN2/c1-8(10)7-9(11)12-5-3-2-4-6-12/h2-5,7,9H,6,11H2,1H3/b8-7-.
What are the key properties of (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine?
(Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine has a molecular weight of 168.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 130303296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).